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Chemical ID: 6194078
Chemical ID:
6194078
Name [?]:
6-methoxy-2-[4-(trifluoromethyl)phenyl]imino-chromene-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)cc(c(=Nc3ccc(cc3)C(F)(F)F)o2)C(=O)N
InChi [?]:
InChI=1/C18H13F3N2O3/c1-25-13-6-7-15-10(8-13)9-14(16(22)24)17(26-15)23-12-4-2-11(3-5-12)18(19,20)21/h2-9H,1H3,(H2,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,4,5,8,9,7,16,13,3,10,6,24,11,19,20,21,22,26,12,25,2,23/E:(2,3)(4,5)(19,20,21)/rA:26nCOCCCCCCCCCNCCCCCCCFFFOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s6s11;s10;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13F3N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57411 |
Area: | 493.635 |
Solvation: | -4.76676 |
Coulombic: | -65.7082 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 362.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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